2-[6-fluoranyl-5-methoxy-2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-fluoranyl-5-methoxy-2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethylsulfanyl)benzoyl]indol-3-yl]acetic acid CAS Name: 2-[6-fluoro-5-methoxy-2-methyl-1-[oxo-[4-(trifluoromethylthio)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethylsulfanyl)benzoyl]indol-3-yl]acetic acid Traditional Name: 2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethylthio)benzoyl]indol-3-yl]acetic acid Formula: C20H15F4NO4S MolecularWeight: 441.396013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1C(=O)C3=CC=C(C=C3)SC(F)(F)F)F)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1C(=O)C3=CC=C(C=C3)SC(F)(F)F)F)OC)CC(=O)O

InChI

InChI=1S/C20H15F4NO4S/c1-10-13(8-18(26)27)14-7-17(29-2)15(21)9-16(14)25(10)19(28)11-3-5-12(6-4-11)30-20(22,23)24/h3-7,9H,8H2,1-2H3,(H,26,27)